Search: onr:"swepub:oai:DiVA.org:liu-129155" >
A complex-polarizat...
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
-
- Cukras, Janusz (author)
- University of Trieste, Italy; University of Warsaw, Poland
-
- Kauczor, Joanna (author)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
-
- Norman, Patrick (author)
- Linköpings universitet,Teoretisk kemi,Tekniska fakulteten
-
show more...
-
- Rizzo, Antonio (author)
- IPCF CNR, Italy
-
- Rikken, Geert L. J. A. (author)
- UPS, France; UPS, France
-
- Coriani, Sonia (author)
- University of Trieste, Italy; Aarhus University, Denmark
-
show less...
-
(creator_code:org_t)
- 2016
- 2016
- English.
-
In: Physical Chemistry, Chemical Physics - PCCP. - : ROYAL SOC CHEMISTRY. - 1463-9076 .- 1463-9084. ; 18:19, s. 13267-13279
- Related links:
-
https://arts.units.i...
-
show more...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
show less...
Abstract
Subject headings
Close
- A computational protocol for magneto-chiral dichroism and magneto-chiral birefringence dispersion is presented within the framework of damped response theory, also known as complex polarization propagator theory, at the level of time-dependent Hartree-Fock and time-dependent density functional theory. Magneto-chiral dichroism and magneto-chiral birefringence spectra in the (resonant) frequency region below the first ionization threshold of R-methyloxirane and L-alanine are presented and compared with the corresponding results obtained for both the electronic circular dichroism and the magnetic circular dichroism. The additional information content yielded by the magneto-chiral phenomena, as well as their potential experimental detectability for the selected species, is discussed.
Subject headings
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database